SCHEMBL1225809

SCHEMBL1225809

O=C1CCCCCC(=O)C1C1C(=O)CCCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TRIM24 O15164 2/20 0.47
TRIM33 Q9UPN9 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 1/20 0.32
MCL1 Q07820 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
CA9 Q16790 1/20 0.30
FKBP5 Q13451 1/20 0.30
CRBN Q96SW2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7825990 0.81 CA1 (0.32) KMT2ATRIM24TRIM33CA1CA2
SCHEMBL13125935 0.73 KMT2A (0.46) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL6764761 0.71 KMT2A (0.56) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL7706356 0.71 KMT2A (0.56) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL5336897 0.71 CA1 (0.40) KMT2AALDH1A1CA1CA2CA4
SCHEMBL14249873 0.69 KMT2A (0.48) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL11079654 0.69
SCHEMBL13811044 0.69 CA1 (0.43) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL3796373 0.69 CA1 (0.43) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL13811067 0.69 CA1 (0.57) KMT2ATRIM24TRIM33ALDH1A1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2020-06-30 US disclosed
US-10590143-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2020-03-17 US disclosed
EP-3004052-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-04-18 EP disclosed
EP-3004043-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-01-31 EP disclosed
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 EP disclosed
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2016-07-21 US disclosed
US-20160143277-A1 Herbicidally Active (alkynyl-phenyl)-Substituted Cyclic Dione Compounds and Derivatives Thereof SYNGENTA LIMITED (GB) 2016-05-26 US disclosed
EP-3004052-A1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF Syngenta Limited (GB) 2016-04-13 EP disclosed
EP-3004043-A1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF Syngenta Limited (GB) 2016-04-13 EP disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 US disclosed
WO-2012059436-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed
CN-102264226-A Phenyl-substituted bicyclooctane-1,3-dione derivatives 2011-11-30 CN disclosed
CN-102264226-A Phenyl-substituted bicyclooctane-1,3-dione derivatives 2011-11-30 CN disclosed
EP-2334175-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-22 EP disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
WO-2010040460-A3 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
WO-2010040460-A2 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C KMT2A 2664/4885TRIM24 4544/4885TRIM33 4007/4885
US-10696686-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, CNPY3 KMT2A 198/4885TRIM24 4657/4885TRIM33 4100/4885
US-20160207934-A1 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, CNPY3 KMT2A 198/4885TRIM24 4657/4885TRIM33 4100/4885
US-20160143277-A1 Herbicidally Active (alkynyl-phenyl)-Substituted Cyclic Dione Compounds and Derivatives Thereof DDT, CNPY2, TET1 KMT2A 191/4885TRIM24 4546/4885TRIM33 3753/4885
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ KMT2A 3670/4885TRIM24 4524/4885TRIM33 4644/4885
US-10590143-B2 Herbicidally active (alkynyl-phenyl)-substituted cyclic dione compounds and derivatives thereof DDT, CNPY2, TET1 KMT2A 191/4885TRIM24 4546/4885TRIM33 3753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.